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PubMed code 27959494

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM50076273
PNG
((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
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KEGG
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UniChem

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Article
PubMed
1.40E+6n/an/an/an/an/an/an/an/a



Washington College



Assay Description
Steady-state kinetic parameters were measured for PTP1B using p-nitrophenyl phosphate (pNPP, 0.5−40 mM) as the substrate in NMR buffer. The rat...


Biochemistry 56: 96-106 (2017)


Article DOI: 10.1021/acs.biochem.6b01025
BindingDB Entry DOI: 10.7270/Q2JW8CQJ
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM50327036
PNG
((1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)
Show SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
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CHEMBL
KEGG
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UniChem

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Article
PubMed
8.20E+6n/an/an/an/an/an/an/an/a



Washington College



Assay Description
Steady-state kinetic parameters were measured for PTP1B using p-nitrophenyl phosphate (pNPP, 0.5−40 mM) as the substrate in NMR buffer. The rat...


Biochemistry 56: 96-106 (2017)


Article DOI: 10.1021/acs.biochem.6b01025
BindingDB Entry DOI: 10.7270/Q2JW8CQJ
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM50327036
PNG
((1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acry...)
Show SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O
Show InChI InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
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KEGG
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Article
PubMed
n/an/an/a 1.50E+6n/an/an/an/an/a



Washington College



Assay Description
NMR chemical shift perturbations of PTP1B resonances due to binding of CHA and CGA were monitored by acquiring a series of 1H−15N TROSY spectra...


Biochemistry 56: 96-106 (2017)


Article DOI: 10.1021/acs.biochem.6b01025
BindingDB Entry DOI: 10.7270/Q2JW8CQJ
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase 1B (PTP1B)


(Homo sapiens (Human))
BDBM50076273
PNG
((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
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CHEMBL
KEGG
PC cid
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UniChem

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Article
PubMed
n/an/an/a 1.60E+6n/an/an/an/an/a



Washington College



Assay Description
NMR chemical shift perturbations of PTP1B resonances due to binding of CHA and CGA were monitored by acquiring a series of 1H−15N TROSY spectra...


Biochemistry 56: 96-106 (2017)


Article DOI: 10.1021/acs.biochem.6b01025
BindingDB Entry DOI: 10.7270/Q2JW8CQJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%